| SpectraBase Spectrum ID |
GzGt2GlgwC1 |
| Name |
2-Iodophenyl-.beta.-phenylpropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.996024657 u |
| Formula |
C15H13IO2 |
| InChI |
InChI=1S/C15H13IO2/c16-13-8-4-5-9-14(13)18-15(17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2 |
| InChIKey |
XNCWQQRPZVOHDM-UHFFFAOYSA-N |
| Molecular Weight |
352.171 g/mol |
| SMILES |
C1(=CC=CC=C1I)OC(=O)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881162 |
